SCHEMBL7367643

SCHEMBL7367643

COc1ccc(CN(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccc3c(NC(N)=NCl)cncc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
BMP1 P13497 1/20 0.40
MEP1B Q16820 1/20 0.39
PTGER2 P43116 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
TAS2R14 Q9NYV8 6/20 0.37
MMP3 P08254 1/20 0.37
PTGES O14684 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
CXCR3 P49682 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7371892 0.92 TAS2R14 (0.40) ALDH1A1MMP2MMP9MMP13MEP1B
SCHEMBL7049646 0.92 PLAU (0.43) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL7377977 0.92 PLAU (0.36) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL7379141 0.90 PLAU (0.44) ALDH1A1BMP1MEP1BLMNATSHR
SCHEMBL7375649 0.90 NR1D1 (0.35) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL7378343 0.88 PDE4A (0.41) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL7371411 0.88 MAPT (0.39) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6436326 0.85 SMN1; SMN2 (0.37) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL7378428 0.84 PDE4A (0.38) ALDH1A1PTGER2CXCR3
SCHEMBL7050066 0.84 PLAU (0.39) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed